A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble (Q5466919)

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scientific article; zbMATH DE number 5025225
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A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
scientific article; zbMATH DE number 5025225

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    A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble (English)
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    22 May 2006
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    Molecular dynamics
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    isothermal-isobaric ensemble
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